Glycoside
...
GD002218

Name:
COSMOSPORASIDE D

Formula:
C39H70O16

Smiles:
CCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@H](C[C@H](OC(C)=O)C(C)=CCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO)[C@@](C)(O)CCC=C(C)C)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CC=C(C)C(CC(O)C(C)(O)CCC=C(C)C)OC(C)=O.CCCCCCCCCC(=O)O

Sugarmoiety:
OCC(O)C(O)C(OO)C(O)CO.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 1
HBD: 9 FractionCSP3: 0.85
AlogP: 1.08 Num_rotatable_bonds: 28
MolWt: 794.97 Num_heavy_atoms: 55
TPSA: 262.36 NumAromaticRings: 0

Unique Aglycone
AD01332
Formula: C10H20O2

Smiles:
CCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.9
AlogP: 3.21 Num_rotatable_bonds: 8
MolWt: 172.27 Num_heavy_atoms: 12
TPSA: 37.3 NumAromaticRings: 0
AD02143
Formula: C17H30O4

Smiles:
CC=C(C)C(CC(O)C(C)(O)CCC=C(C)C)OC(C)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.71
AlogP: 3.13 Num_rotatable_bonds: 8
MolWt: 298.42 Num_heavy_atoms: 21
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00528

OCC(O)C(O)C(OO)C(O)CO.OCC1OC(O)C(O)C(O)C1O